| CAS Number | 1609403-34-0 |
| Catalog Number | AG00J2DR |
| Chemical Name | 3-cyclopropyl-4-methyl-4H-1,2,4-triazole hydrochloride |
| IUPAC Name | 3-cyclopropyl-4-methyl-1,2,4-triazole;hydrochloride |
| InChI | InChI=1S/C6H9N3.ClH/c1-9-4-7-8-6(9)5-2-3-5;/h4-5H,2-3H2,1H3;1H |
| InChI Key | CIJSJVDWQDWFED-UHFFFAOYSA-N |
| MDL Number | MFCD26959470 |
| Molecular Formula | C6H10ClN3 |
| Molecular Weight | 159.6167 |
| SMILES | C1(C2CC2)=NN=CN1C.Cl |
| Synonyms | 3-CYCLOPROPYL-4-METHYL-4H-1,2,4-TRIAZOLE HYDROCHLORIDE,
1609403-34-0,
ZX-CM009190,
MFCD26959470,
AKOS030631089,
4040407-25G,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.617g/mol |
| Monoisotopic Mass | 159.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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